N-[3-[4-[(1-methylindazol-5-yl)amino]quinazolin-2-yl]phenyl]morpholine-4-carboxamide

C27H25N7O2 — CID 163830669

IUPACN-[3-[4-[(1-methylindazol-5-yl)amino]quinazolin-2-yl]phenyl]morpholine-4-carboxamide
SMILESCn1ncc2cc(Nc3nc(-c4cccc(NC(=O)N5CCOCC5)c4)nc4ccccc34)ccc21
InChIInChI=1S/C27H25N7O2/c1-33-24-10-9-21(16-19(24)17-28-33)29-26-22-7-2-3-8-23(22)31-25(32-26)18-5-4-6-20(15-18)30-27(35)34-11-13-36-14-12-34/h2-10,15-17H,11-14H2,1H3,(H,30,35)(H,29,31,32)
InChIKeyODJPHBQGGPOYDW-UHFFFAOYSA-N
MW479.54 g/mol
LogP4.79
Rot. Bonds4

About N-[3-[4-[(1-methylindazol-5-yl)amino]quinazolin-2-yl]phenyl]morpholine-4-carboxamide

N-[3-[4-[(1-methylindazol-5-yl)amino]quinazolin-2-yl]phenyl]morpholine-4-carboxamide (PubChem CID 163830669) has the molecular formula C27H25N7O2 and a molecular weight of 479.54 g/mol. Its IUPAC name is N-[3-[4-[(1-methylindazol-5-yl)amino]quinazolin-2-yl]phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[(1-methylindazol-5-yl)amino]quinazolin-2-yl]phenyl]morpholine-4-carboxamide
PubChem CID163830669
Molecular FormulaC27H25N7O2
Molecular Weight479.54 g/mol
Exact Mass479.21
IUPAC NameN-[3-[4-[(1-methylindazol-5-yl)amino]quinazolin-2-yl]phenyl]morpholine-4-carboxamide
SMILESCn1ncc2cc(Nc3nc(-c4cccc(NC(=O)N5CCOCC5)c4)nc4ccccc34)ccc21
InChIInChI=1S/C27H25N7O2/c1-33-24-10-9-21(16-19(24)17-28-33)29-26-22-7-2-3-8-23(22)31-25(32-26)18-5-4-6-20(15-18)30-27(35)34-11-13-36-14-12-34/h2-10,15-17H,11-14H2,1H3,(H,30,35)(H,29,31,32)
InChIKeyODJPHBQGGPOYDW-UHFFFAOYSA-N
XLogP4.79
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]morpholine-4-carboxamide
CID 59361906
N-[3-[4-(4-amino-3-methanimidoylanilino)quinazolin-2-yl]phenyl]morpholine-4-carboxamide
CID 123568175
N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-4-methylpiperazine-1-carboxamide
CID 11950701
tert-butyl 5-[[2-[3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]quinazolin-4-yl]amino]indazole-1-carboxylate
CID 59361937
tert-butyl 5-[[2-[3-(piperidine-4-carbonylamino)phenyl]quinazolin-4-yl]amino]indazole-1-carboxylate
CID 59361889
5-[[6-hydroxy-7-methoxy-2-[3-[(2-morpholin-4-ylacetyl)amino]phenyl]quinazolin-4-yl]amino]indazole-1-carboxylic acid
CID 68790415
tert-butyl 5-[[2-[3-(pyrrolidine-2-carbonylamino)phenyl]quinazolin-4-yl]amino]indazole-1-carboxylate
CID 68791723
ethane;N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide
CID 90856959
N-(1-methylindazol-5-yl)thiomorpholine-4-carboxamide
CID 72893991
tert-butyl 5-[[2-[3-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]phenyl]quinazolin-4-yl]amino]indazole-1-carboxylate
CID 59361858
3-[(2-phenylquinazolin-4-yl)amino]benzoic acid;hydrochloride
CID 2894714
2-(dimethylamino)-N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide
CID 59361917

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(1-methylindazol-5-yl)amino]quinazolin-2-yl]phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[3-[4-[(1-methylindazol-5-yl)amino]quinazolin-2-yl]phenyl]morpholine-4-carboxamide (CID 163830669) is N-[3-[4-[(1-methylindazol-5-yl)amino]quinazolin-2-yl]phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[3-[4-[(1-methylindazol-5-yl)amino]quinazolin-2-yl]phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[3-[4-[(1-methylindazol-5-yl)amino]quinazolin-2-yl]phenyl]morpholine-4-carboxamide is Cn1ncc2cc(Nc3nc(-c4cccc(NC(=O)N5CCOCC5)c4)nc4ccccc34)ccc21.
What is the InChIKey of N-[3-[4-[(1-methylindazol-5-yl)amino]quinazolin-2-yl]phenyl]morpholine-4-carboxamide?
The InChIKey is ODJPHBQGGPOYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O2/c1-33-24-10-9-21(16-19(24)17-28-33)29-26-22-7-2-3-8-23(22)31-25(32-26)18-5-4-6-20(15-18)30-27(35)34-11-13-36-14-12-34/h2-10,15-17H,11-14H2,1H3,(H,30,35)(H,29,31,32).
What are the key properties of N-[3-[4-[(1-methylindazol-5-yl)amino]quinazolin-2-yl]phenyl]morpholine-4-carboxamide?
N-[3-[4-[(1-methylindazol-5-yl)amino]quinazolin-2-yl]phenyl]morpholine-4-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(1-methylindazol-5-yl)amino]quinazolin-2-yl]phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 163830669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).