2-amino-N-(cyclopropylmethyl)-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide

C18H24N6O — CID 59496670

IUPAC2-amino-N-(cyclopropylmethyl)-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide
SMILESCN1CCN(c2nc(N)nc3cc(C(=O)NCC4CC4)ccc23)CC1
InChIInChI=1S/C18H24N6O/c1-23-6-8-24(9-7-23)16-14-5-4-13(10-15(14)21-18(19)22-16)17(25)20-11-12-2-3-12/h4-5,10,12H,2-3,6-9,11H2,1H3,(H,20,25)(H2,19,21,22)
InChIKeyNGLIOWGPLDPYMJ-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.10
Rot. Bonds4

About 2-amino-N-(cyclopropylmethyl)-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide

2-amino-N-(cyclopropylmethyl)-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide (PubChem CID 59496670) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-amino-N-(cyclopropylmethyl)-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide.

Molecular Properties

Compound Name2-amino-N-(cyclopropylmethyl)-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide
PubChem CID59496670
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name2-amino-N-(cyclopropylmethyl)-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide
SMILESCN1CCN(c2nc(N)nc3cc(C(=O)NCC4CC4)ccc23)CC1
InChIInChI=1S/C18H24N6O/c1-23-6-8-24(9-7-23)16-14-5-4-13(10-15(14)21-18(19)22-16)17(25)20-11-12-2-3-12/h4-5,10,12H,2-3,6-9,11H2,1H3,(H,20,25)(H2,19,21,22)
InChIKeyNGLIOWGPLDPYMJ-UHFFFAOYSA-N
XLogP1.10
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-(4-methylpiperazin-1-yl)-N-(2-phenylpropan-2-yl)quinazoline-7-carboxamide
CID 59496599
2-amino-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide
CID 173079915
ethyl 3-amino-2-[3-[[[2-amino-4-(4-methylpiperazin-1-yl)quinazoline-7-carbonyl]amino]methyl]phenoxy]-6-methylpyridine-4-carboxylate
CID 70854313
4-amino-3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62682426
2-amino-N-[1-[3-[(3-amino-6-methyl-2-pyridinyl)oxy]phenyl]ethyl]-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide
CID 70854192
N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16895340
N-[(1-acetylpiperidin-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110745949
N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 25182094
4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63185576
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide
CID 43437026
4-hydrazinyl-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63211845

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyclopropylmethyl)-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide?
The IUPAC name of 2-amino-N-(cyclopropylmethyl)-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide (CID 59496670) is 2-amino-N-(cyclopropylmethyl)-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide.
What is the SMILES notation for 2-amino-N-(cyclopropylmethyl)-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide?
The canonical SMILES for 2-amino-N-(cyclopropylmethyl)-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide is CN1CCN(c2nc(N)nc3cc(C(=O)NCC4CC4)ccc23)CC1.
What is the InChIKey of 2-amino-N-(cyclopropylmethyl)-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide?
The InChIKey is NGLIOWGPLDPYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-23-6-8-24(9-7-23)16-14-5-4-13(10-15(14)21-18(19)22-16)17(25)20-11-12-2-3-12/h4-5,10,12H,2-3,6-9,11H2,1H3,(H,20,25)(H2,19,21,22).
What are the key properties of 2-amino-N-(cyclopropylmethyl)-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide?
2-amino-N-(cyclopropylmethyl)-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyclopropylmethyl)-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide is sourced from PubChem (CID 59496670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).