N-[3-(2-methylpiperidin-1-yl)propyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine

C27H32N4 — CID 59489668

IUPACN-[3-(2-methylpiperidin-1-yl)propyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESCC1CCCCN1CCCNc1ncc2c(n1)-c1ccccc1C(c1ccccc1)C2
InChIInChI=1S/C27H32N4/c1-20-10-7-8-16-31(20)17-9-15-28-27-29-19-22-18-25(21-11-3-2-4-12-21)23-13-5-6-14-24(23)26(22)30-27/h2-6,11-14,19-20,25H,7-10,15-18H2,1H3,(H,28,29,30)
InChIKeyUQYQGLVXIYAUCQ-UHFFFAOYSA-N
MW412.58 g/mol
LogP5.51
Rot. Bonds6

About N-[3-(2-methylpiperidin-1-yl)propyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine

N-[3-(2-methylpiperidin-1-yl)propyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine (PubChem CID 59489668) has the molecular formula C27H32N4 and a molecular weight of 412.58 g/mol. Its IUPAC name is N-[3-(2-methylpiperidin-1-yl)propyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine.

Molecular Properties

Compound NameN-[3-(2-methylpiperidin-1-yl)propyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
PubChem CID59489668
Molecular FormulaC27H32N4
Molecular Weight412.58 g/mol
Exact Mass412.26
IUPAC NameN-[3-(2-methylpiperidin-1-yl)propyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESCC1CCCCN1CCCNc1ncc2c(n1)-c1ccccc1C(c1ccccc1)C2
InChIInChI=1S/C27H32N4/c1-20-10-7-8-16-31(20)17-9-15-28-27-29-19-22-18-25(21-11-3-2-4-12-21)23-13-5-6-14-24(23)26(22)30-27/h2-6,11-14,19-20,25H,7-10,15-18H2,1H3,(H,28,29,30)
InChIKeyUQYQGLVXIYAUCQ-UHFFFAOYSA-N
XLogP5.51
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-[4-[2-(3-pyrrolidin-1-ylpropylamino)-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]benzamide
CID 59489637
N-[4-[2-(3-pyrrolidin-1-ylpropylamino)-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]benzenesulfonamide;2,2,2-trifluoro-N-[4-[2-(3-pyrrolidin-1-ylpropylamino)-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]ethanesulfonamide
CID 158896931
6-[4-[(2-methoxyphenyl)methylamino]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 59489849
N-[4-[2-[3-[3-[3-[2-[2-[4-[2-(3-pyrrolidin-1-ylpropylamino)-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]acetyl]cyclopropyl]phenyl]pyrrolidin-1-yl]propylamino]-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]cyclohexanecarboxamide
CID 91030624
4-methyl-N-[4-[2-[3-(4-methylpiperazin-1-yl)propylamino]-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]benzamide;2-phenoxy-N-[4-[2-(3-pyrrolidin-1-ylpropylamino)-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]acetamide
CID 159846010
N-[4-[2-[3-(4-methylpiperazin-1-yl)propylamino]-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 158955721
2-[3-(2-methylpiperidin-1-yl)propylamino]pyrimidine-4-carboxylic acid
CID 107553233
1-[(3-fluorophenyl)methyl]-3-[4-[2-[3-(4-methylpiperazin-1-yl)propylamino]-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]urea
CID 59489988
N-[(5-methoxy-1H-indol-2-yl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 59489633
4-N,4-N-dimethyl-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine
CID 133383415
2,5-diethoxy-N-[4-[2-[3-(4-methylpiperazin-1-yl)propylamino]-5,6-dihydrobenzo[h]quinazolin-6-yl]phenyl]benzamide
CID 59490238
4-ethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-2-amine
CID 115974404

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine (CID 59489668) is N-[3-(2-methylpiperidin-1-yl)propyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine.
What is the SMILES notation for N-[3-(2-methylpiperidin-1-yl)propyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The canonical SMILES for N-[3-(2-methylpiperidin-1-yl)propyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine is CC1CCCCN1CCCNc1ncc2c(n1)-c1ccccc1C(c1ccccc1)C2.
What is the InChIKey of N-[3-(2-methylpiperidin-1-yl)propyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The InChIKey is UQYQGLVXIYAUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4/c1-20-10-7-8-16-31(20)17-9-15-28-27-29-19-22-18-25(21-11-3-2-4-12-21)23-13-5-6-14-24(23)26(22)30-27/h2-6,11-14,19-20,25H,7-10,15-18H2,1H3,(H,28,29,30).
What are the key properties of N-[3-(2-methylpiperidin-1-yl)propyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine?
N-[3-(2-methylpiperidin-1-yl)propyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine has a molecular weight of 412.58 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpiperidin-1-yl)propyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine is sourced from PubChem (CID 59489668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).