2-N-(2-aminoethyl)-4-N-(1-benzylpiperidin-4-yl)-7-methoxyquinazoline-2,4-diamine

C23H30N6O — CID 146191590

IUPAC2-N-(2-aminoethyl)-4-N-(1-benzylpiperidin-4-yl)-7-methoxyquinazoline-2,4-diamine
SMILESCOc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCN)nc2c1
InChIInChI=1S/C23H30N6O/c1-30-19-7-8-20-21(15-19)27-23(25-12-11-24)28-22(20)26-18-9-13-29(14-10-18)16-17-5-3-2-4-6-17/h2-8,15,18H,9-14,16,24H2,1H3,(H2,25,26,27,28)
InChIKeyPVHOCORNJWYTFZ-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.09
Rot. Bonds8

About 2-N-(2-aminoethyl)-4-N-(1-benzylpiperidin-4-yl)-7-methoxyquinazoline-2,4-diamine

2-N-(2-aminoethyl)-4-N-(1-benzylpiperidin-4-yl)-7-methoxyquinazoline-2,4-diamine (PubChem CID 146191590) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-N-(2-aminoethyl)-4-N-(1-benzylpiperidin-4-yl)-7-methoxyquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-aminoethyl)-4-N-(1-benzylpiperidin-4-yl)-7-methoxyquinazoline-2,4-diamine
PubChem CID146191590
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name2-N-(2-aminoethyl)-4-N-(1-benzylpiperidin-4-yl)-7-methoxyquinazoline-2,4-diamine
SMILESCOc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCN)nc2c1
InChIInChI=1S/C23H30N6O/c1-30-19-7-8-20-21(15-19)27-23(25-12-11-24)28-22(20)26-18-9-13-29(14-10-18)16-17-5-3-2-4-6-17/h2-8,15,18H,9-14,16,24H2,1H3,(H2,25,26,27,28)
InChIKeyPVHOCORNJWYTFZ-UHFFFAOYSA-N
XLogP3.09
TPSA88.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-benzylpiperidin-4-yl)-7-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine
CID 155533577
2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine
CID 46850885
7-methoxy-4-(4-methoxyphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]phthalazin-1-amine
CID 69213049
7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-(4-phenylphenyl)phthalazin-1-amine;dihydrochloride
CID 69209038
N-[1-[[4-(2-aminopropan-2-yl)phenyl]methyl]piperidin-4-yl]-7-methoxy-4-(4-methoxyphenyl)phthalazin-1-amine
CID 69211571
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine
CID 44561029
N-[[4-[[[4-[(1-benzylpiperidin-4-yl)amino]quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]benzenesulfonamide;methane
CID 160606134
4-N-(1-benzylpiperidin-4-yl)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 134107688
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine
CID 2808856
6-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine
CID 114074043
7-methoxy-4-(4-methylphenyl)-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]phthalazin-1-amine
CID 69210826
4-[(1-benzylpiperidin-4-yl)amino]-6-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-7-ol
CID 137028680

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminoethyl)-4-N-(1-benzylpiperidin-4-yl)-7-methoxyquinazoline-2,4-diamine?
The IUPAC name of 2-N-(2-aminoethyl)-4-N-(1-benzylpiperidin-4-yl)-7-methoxyquinazoline-2,4-diamine (CID 146191590) is 2-N-(2-aminoethyl)-4-N-(1-benzylpiperidin-4-yl)-7-methoxyquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(2-aminoethyl)-4-N-(1-benzylpiperidin-4-yl)-7-methoxyquinazoline-2,4-diamine?
The canonical SMILES for 2-N-(2-aminoethyl)-4-N-(1-benzylpiperidin-4-yl)-7-methoxyquinazoline-2,4-diamine is COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCN)nc2c1.
What is the InChIKey of 2-N-(2-aminoethyl)-4-N-(1-benzylpiperidin-4-yl)-7-methoxyquinazoline-2,4-diamine?
The InChIKey is PVHOCORNJWYTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-30-19-7-8-20-21(15-19)27-23(25-12-11-24)28-22(20)26-18-9-13-29(14-10-18)16-17-5-3-2-4-6-17/h2-8,15,18H,9-14,16,24H2,1H3,(H2,25,26,27,28).
What are the key properties of 2-N-(2-aminoethyl)-4-N-(1-benzylpiperidin-4-yl)-7-methoxyquinazoline-2,4-diamine?
2-N-(2-aminoethyl)-4-N-(1-benzylpiperidin-4-yl)-7-methoxyquinazoline-2,4-diamine has a molecular weight of 406.53 g/mol, XLogP of 3.09, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminoethyl)-4-N-(1-benzylpiperidin-4-yl)-7-methoxyquinazoline-2,4-diamine is sourced from PubChem (CID 146191590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).