N-[(2,4-diaminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide

C24H22N6O — CID 172623319

IUPACN-[(2,4-diaminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide
SMILESCCn1c2ccccc2c2ccc(C(=O)NCc3ccc4nc(N)nc(N)c4c3)cc21
InChIInChI=1S/C24H22N6O/c1-2-30-20-6-4-3-5-16(20)17-9-8-15(12-21(17)30)23(31)27-13-14-7-10-19-18(11-14)22(25)29-24(26)28-19/h3-12H,2,13H2,1H3,(H,27,31)(H4,25,26,28,29)
InChIKeyVPMHDPZSMXCRGC-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.85
Rot. Bonds4

About N-[(2,4-diaminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide

N-[(2,4-diaminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide (PubChem CID 172623319) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[(2,4-diaminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-diaminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide
PubChem CID172623319
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC NameN-[(2,4-diaminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide
SMILESCCn1c2ccccc2c2ccc(C(=O)NCc3ccc4nc(N)nc(N)c4c3)cc21
InChIInChI=1S/C24H22N6O/c1-2-30-20-6-4-3-5-16(20)17-9-8-15(12-21(17)30)23(31)27-13-14-7-10-19-18(11-14)22(25)29-24(26)28-19/h3-12H,2,13H2,1H3,(H,27,31)(H4,25,26,28,29)
InChIKeyVPMHDPZSMXCRGC-UHFFFAOYSA-N
XLogP3.85
TPSA111.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-aminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide
CID 172623172
N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide
CID 172623055
3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide
CID 599695
N-[(2,4-diaminoquinazolin-6-yl)methyl]-1H-indole-5-carboxamide
CID 172622957
N-[(3-chlorophenyl)methyl]-9-ethylpyrido[3,4-b]indole-7-carboxamide
CID 121363768
2-(9-ethylcarbazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 11110676
N-[(9-ethylcarbazol-3-yl)methyl]prop-2-enamide
CID 70174564
N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide
CID 70245099
N-[[1-amino-3-(methylamino)isoquinolin-7-yl]methyl]-9-ethyl-8-oxo-6,7-dihydro-5H-carbazole-3-carboxamide
CID 172623081
(9-ethylcarbazol-3-yl)methyl N-benzylcarbamate
CID 143174353
N-[(1,3-diaminoisoquinolin-6-yl)methyl]-2,5-diethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide
CID 172622973
N-[(3-aminoisoquinolin-6-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-2-carboxamide
CID 172622963

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-diaminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide?
The IUPAC name of N-[(2,4-diaminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide (CID 172623319) is N-[(2,4-diaminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide.
What is the SMILES notation for N-[(2,4-diaminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide?
The canonical SMILES for N-[(2,4-diaminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide is CCn1c2ccccc2c2ccc(C(=O)NCc3ccc4nc(N)nc(N)c4c3)cc21.
What is the InChIKey of N-[(2,4-diaminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide?
The InChIKey is VPMHDPZSMXCRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-2-30-20-6-4-3-5-16(20)17-9-8-15(12-21(17)30)23(31)27-13-14-7-10-19-18(11-14)22(25)29-24(26)28-19/h3-12H,2,13H2,1H3,(H,27,31)(H4,25,26,28,29).
What are the key properties of N-[(2,4-diaminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide?
N-[(2,4-diaminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 3.85, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-diaminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide is sourced from PubChem (CID 172623319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).