N-[3-(2-amino-6-chloroquinazolin-4-yl)phenyl]-1H-indole-7-carboxamide

C23H16ClN5O — CID 15948107

IUPACN-[3-(2-amino-6-chloroquinazolin-4-yl)phenyl]-1H-indole-7-carboxamide
SMILESNc1nc(-c2cccc(NC(=O)c3cccc4cc[nH]c34)c2)c2cc(Cl)ccc2n1
InChIInChI=1S/C23H16ClN5O/c24-15-7-8-19-18(12-15)21(29-23(25)28-19)14-4-1-5-16(11-14)27-22(30)17-6-2-3-13-9-10-26-20(13)17/h1-12,26H,(H,27,30)(H2,25,28,29)
InChIKeyUHJAYQZRFHZQQW-UHFFFAOYSA-N
MW413.87 g/mol
LogP5.27
Rot. Bonds3

About N-[3-(2-amino-6-chloroquinazolin-4-yl)phenyl]-1H-indole-7-carboxamide

N-[3-(2-amino-6-chloroquinazolin-4-yl)phenyl]-1H-indole-7-carboxamide (PubChem CID 15948107) has the molecular formula C23H16ClN5O and a molecular weight of 413.87 g/mol. Its IUPAC name is N-[3-(2-amino-6-chloroquinazolin-4-yl)phenyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-6-chloroquinazolin-4-yl)phenyl]-1H-indole-7-carboxamide
PubChem CID15948107
Molecular FormulaC23H16ClN5O
Molecular Weight413.87 g/mol
Exact Mass413.10
IUPAC NameN-[3-(2-amino-6-chloroquinazolin-4-yl)phenyl]-1H-indole-7-carboxamide
SMILESNc1nc(-c2cccc(NC(=O)c3cccc4cc[nH]c34)c2)c2cc(Cl)ccc2n1
InChIInChI=1S/C23H16ClN5O/c24-15-7-8-19-18(12-15)21(29-23(25)28-19)14-4-1-5-16(11-14)27-22(30)17-6-2-3-13-9-10-26-20(13)17/h1-12,26H,(H,27,30)(H2,25,28,29)
InChIKeyUHJAYQZRFHZQQW-UHFFFAOYSA-N
XLogP5.27
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.87
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1H-imidazol-5-yl)phenyl]-1H-indole-7-carboxamide
CID 131921284
tert-butyl N-[(2S)-1-[3-(2-amino-6-chloroquinazolin-4-yl)anilino]-1-oxopropan-2-yl]carbamate
CID 67197391
N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-7-carboxamide
CID 112523785
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-7-carboxamide
CID 5339577
N-(1-methylbenzimidazol-5-yl)-1H-indole-7-carboxamide
CID 112527528
2,4-dichloro-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 17296891
N-(6-carbamoyl-3-pyridinyl)-1H-indole-7-carboxamide
CID 75396193
tert-butyl N-[2-[3-(2-amino-6-chloroquinazolin-4-yl)phenoxy]ethyl]carbamate
CID 67198645
N-[3-[6-chloro-4-(2-fluorophenyl)quinolin-2-yl]phenyl]acetamide
CID 8966981
N-(3-chlorophenyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 110695775
2-amino-N-(3-chlorophenyl)-3-fluorobenzamide
CID 62650234
6-chloro-N-naphthalen-2-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25179905

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-6-chloroquinazolin-4-yl)phenyl]-1H-indole-7-carboxamide?
The IUPAC name of N-[3-(2-amino-6-chloroquinazolin-4-yl)phenyl]-1H-indole-7-carboxamide (CID 15948107) is N-[3-(2-amino-6-chloroquinazolin-4-yl)phenyl]-1H-indole-7-carboxamide.
What is the SMILES notation for N-[3-(2-amino-6-chloroquinazolin-4-yl)phenyl]-1H-indole-7-carboxamide?
The canonical SMILES for N-[3-(2-amino-6-chloroquinazolin-4-yl)phenyl]-1H-indole-7-carboxamide is Nc1nc(-c2cccc(NC(=O)c3cccc4cc[nH]c34)c2)c2cc(Cl)ccc2n1.
What is the InChIKey of N-[3-(2-amino-6-chloroquinazolin-4-yl)phenyl]-1H-indole-7-carboxamide?
The InChIKey is UHJAYQZRFHZQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5O/c24-15-7-8-19-18(12-15)21(29-23(25)28-19)14-4-1-5-16(11-14)27-22(30)17-6-2-3-13-9-10-26-20(13)17/h1-12,26H,(H,27,30)(H2,25,28,29).
What are the key properties of N-[3-(2-amino-6-chloroquinazolin-4-yl)phenyl]-1H-indole-7-carboxamide?
N-[3-(2-amino-6-chloroquinazolin-4-yl)phenyl]-1H-indole-7-carboxamide has a molecular weight of 413.87 g/mol, XLogP of 5.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-6-chloroquinazolin-4-yl)phenyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 15948107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).