N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-2-morpholin-4-ylacetamide

C27H25N7O2 — CID 59361987

IUPACN-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
InChIInChI=1S/C27H25N7O2/c35-25(17-34-11-13-36-14-12-34)30-23-7-3-1-5-20(23)27-31-24-8-4-2-6-21(24)26(32-27)29-19-9-10-22-18(15-19)16-28-33-22/h1-10,15-16H,11-14,17H2,(H,28,33)(H,30,35)(H,29,31,32)
InChIKeyZSCMQOLIIBETJL-UHFFFAOYSA-N
MW479.54 g/mol
LogP4.19
Rot. Bonds6

About N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-2-morpholin-4-ylacetamide

N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-2-morpholin-4-ylacetamide (PubChem CID 59361987) has the molecular formula C27H25N7O2 and a molecular weight of 479.54 g/mol. Its IUPAC name is N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-2-morpholin-4-ylacetamide
PubChem CID59361987
Molecular FormulaC27H25N7O2
Molecular Weight479.54 g/mol
Exact Mass479.21
IUPAC NameN-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
InChIInChI=1S/C27H25N7O2/c35-25(17-34-11-13-36-14-12-34)30-23-7-3-1-5-20(23)27-31-24-8-4-2-6-21(24)26(32-27)29-19-9-10-22-18(15-19)16-28-33-22/h1-10,15-16H,11-14,17H2,(H,28,33)(H,30,35)(H,29,31,32)
InChIKeyZSCMQOLIIBETJL-UHFFFAOYSA-N
XLogP4.19
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-2-morpholin-4-ylacetamide (CID 59361987) is N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1.
What is the InChIKey of N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is ZSCMQOLIIBETJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O2/c35-25(17-34-11-13-36-14-12-34)30-23-7-3-1-5-20(23)27-31-24-8-4-2-6-21(24)26(32-27)29-19-9-10-22-18(15-19)16-28-33-22/h1-10,15-16H,11-14,17H2,(H,28,33)(H,30,35)(H,29,31,32).
What are the key properties of N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-2-morpholin-4-ylacetamide?
N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 479.54 g/mol, XLogP of 4.19, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 59361987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).