4-(1H-indazol-5-ylamino)-N-methylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-pyridin-2-ylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-quinolin-3-ylquinazoline-2-carboxamide

C63H46N20O3 — CID 87885707

IUPAC4-(1H-indazol-5-ylamino)-N-methylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-pyridin-2-ylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-quinolin-3-ylquinazoline-2-carboxamide
SMILESCNC(=O)c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1.O=C(Nc1ccccn1)c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1.O=C(Nc1cnc2ccccc2c1)c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
InChIInChI=1S/C25H17N7O.C21H15N7O.C17H14N6O/c33-25(29-18-11-15-5-1-3-7-20(15)26-14-18)24-30-22-8-4-2-6-19(22)23(31-24)28-17-9-10-21-16(12-17)13-27-32-21;29-21(26-18-7-3-4-10-22-18)20-25-17-6-2-1-5-15(17)19(27-20)24-14-8-9-16-13(11-14)12-23-28-16;1-18-17(24)16-21-14-5-3-2-4-12(14)15(22-16)20-11-6-7-13-10(8-11)9-19-23-13/h1-14H,(H,27,32)(H,29,33)(H,28,30,31);1-12H,(H,23,28)(H,22,26,29)(H,24,25,27);2-9H,1H3,(H,18,24)(H,19,23)(H,20,21,22)
InChIKeyAUZFBIXDQIQFSV-UHFFFAOYSA-N
MW1131.20 g/mol
LogP11.56
Rot. Bonds11

About 4-(1H-indazol-5-ylamino)-N-methylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-pyridin-2-ylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-quinolin-3-ylquinazoline-2-carboxamide

4-(1H-indazol-5-ylamino)-N-methylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-pyridin-2-ylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-quinolin-3-ylquinazoline-2-carboxamide (PubChem CID 87885707) has the molecular formula C63H46N20O3 and a molecular weight of 1131.20 g/mol. Its IUPAC name is 4-(1H-indazol-5-ylamino)-N-methylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-pyridin-2-ylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-quinolin-3-ylquinazoline-2-carboxamide.

Molecular Properties

Compound Name4-(1H-indazol-5-ylamino)-N-methylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-pyridin-2-ylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-quinolin-3-ylquinazoline-2-carboxamide
PubChem CID87885707
Molecular FormulaC63H46N20O3
Molecular Weight1131.20 g/mol
Exact Mass1130.41
IUPAC Name4-(1H-indazol-5-ylamino)-N-methylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-pyridin-2-ylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-quinolin-3-ylquinazoline-2-carboxamide
SMILESCNC(=O)c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1.O=C(Nc1ccccn1)c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1.O=C(Nc1cnc2ccccc2c1)c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
InChIInChI=1S/C25H17N7O.C21H15N7O.C17H14N6O/c33-25(29-18-11-15-5-1-3-7-20(15)26-14-18)24-30-22-8-4-2-6-19(22)23(31-24)28-17-9-10-21-16(12-17)13-27-32-21;29-21(26-18-7-3-4-10-22-18)20-25-17-6-2-1-5-15(17)19(27-20)24-14-8-9-16-13(11-14)12-23-28-16;1-18-17(24)16-21-14-5-3-2-4-12(14)15(22-16)20-11-6-7-13-10(8-11)9-19-23-13/h1-14H,(H,27,32)(H,29,33)(H,28,30,31);1-12H,(H,23,28)(H,22,26,29)(H,24,25,27);2-9H,1H3,(H,18,24)(H,19,23)(H,20,21,22)
InChIKeyAUZFBIXDQIQFSV-UHFFFAOYSA-N
XLogP11.56
TPSA312.55 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001131.20
LogP ≤ 511.56
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Analyze 4-(1H-indazol-5-ylamino)-N-methylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-pyridin-2-ylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-quinolin-3-ylquinazoline-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-5-ylamino)-N-methylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-pyridin-2-ylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-quinolin-3-ylquinazoline-2-carboxamide?
The IUPAC name of 4-(1H-indazol-5-ylamino)-N-methylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-pyridin-2-ylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-quinolin-3-ylquinazoline-2-carboxamide (CID 87885707) is 4-(1H-indazol-5-ylamino)-N-methylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-pyridin-2-ylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-quinolin-3-ylquinazoline-2-carboxamide.
What is the SMILES notation for 4-(1H-indazol-5-ylamino)-N-methylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-pyridin-2-ylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-quinolin-3-ylquinazoline-2-carboxamide?
The canonical SMILES for 4-(1H-indazol-5-ylamino)-N-methylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-pyridin-2-ylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-quinolin-3-ylquinazoline-2-carboxamide is CNC(=O)c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1.O=C(Nc1ccccn1)c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1.O=C(Nc1cnc2ccccc2c1)c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1.
What is the InChIKey of 4-(1H-indazol-5-ylamino)-N-methylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-pyridin-2-ylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-quinolin-3-ylquinazoline-2-carboxamide?
The InChIKey is AUZFBIXDQIQFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N7O.C21H15N7O.C17H14N6O/c33-25(29-18-11-15-5-1-3-7-20(15)26-14-18)24-30-22-8-4-2-6-19(22)23(31-24)28-17-9-10-21-16(12-17)13-27-32-21;29-21(26-18-7-3-4-10-22-18)20-25-17-6-2-1-5-15(17)19(27-20)24-14-8-9-16-13(11-14)12-23-28-16;1-18-17(24)16-21-14-5-3-2-4-12(14)15(22-16)20-11-6-7-13-10(8-11)9-19-23-13/h1-14H,(H,27,32)(H,29,33)(H,28,30,31);1-12H,(H,23,28)(H,22,26,29)(H,24,25,27);2-9H,1H3,(H,18,24)(H,19,23)(H,20,21,22).
What are the key properties of 4-(1H-indazol-5-ylamino)-N-methylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-pyridin-2-ylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-quinolin-3-ylquinazoline-2-carboxamide?
4-(1H-indazol-5-ylamino)-N-methylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-pyridin-2-ylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-quinolin-3-ylquinazoline-2-carboxamide has a molecular weight of 1131.20 g/mol, XLogP of 11.56, 11 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-5-ylamino)-N-methylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-pyridin-2-ylquinazoline-2-carboxamide;4-(1H-indazol-5-ylamino)-N-quinolin-3-ylquinazoline-2-carboxamide is sourced from PubChem (CID 87885707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).