N-[(2-aminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide

C24H21N5O — CID 172623172

IUPACN-[(2-aminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide
SMILESCCn1c2ccccc2c2ccc(C(=O)NCc3ccc4nc(N)ncc4c3)cc21
InChIInChI=1S/C24H21N5O/c1-2-29-21-6-4-3-5-18(21)19-9-8-16(12-22(19)29)23(30)26-13-15-7-10-20-17(11-15)14-27-24(25)28-20/h3-12,14H,2,13H2,1H3,(H,26,30)(H2,25,27,28)
InChIKeyNIXMMPIUFHXVIV-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.27
Rot. Bonds4

About N-[(2-aminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide

N-[(2-aminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide (PubChem CID 172623172) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is N-[(2-aminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-aminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide
PubChem CID172623172
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC NameN-[(2-aminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide
SMILESCCn1c2ccccc2c2ccc(C(=O)NCc3ccc4nc(N)ncc4c3)cc21
InChIInChI=1S/C24H21N5O/c1-2-29-21-6-4-3-5-18(21)19-9-8-16(12-22(19)29)23(30)26-13-15-7-10-20-17(11-15)14-27-24(25)28-20/h3-12,14H,2,13H2,1H3,(H,26,30)(H2,25,27,28)
InChIKeyNIXMMPIUFHXVIV-UHFFFAOYSA-N
XLogP4.27
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide?
The IUPAC name of N-[(2-aminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide (CID 172623172) is N-[(2-aminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide.
What is the SMILES notation for N-[(2-aminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide?
The canonical SMILES for N-[(2-aminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide is CCn1c2ccccc2c2ccc(C(=O)NCc3ccc4nc(N)ncc4c3)cc21.
What is the InChIKey of N-[(2-aminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide?
The InChIKey is NIXMMPIUFHXVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c1-2-29-21-6-4-3-5-18(21)19-9-8-16(12-22(19)29)23(30)26-13-15-7-10-20-17(11-15)14-27-24(25)28-20/h3-12,14H,2,13H2,1H3,(H,26,30)(H2,25,27,28).
What are the key properties of N-[(2-aminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide?
N-[(2-aminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide has a molecular weight of 395.47 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide is sourced from PubChem (CID 172623172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).