6,7-dimethoxy-2-N-methyl-2-N-[(4-phenylpiperidin-4-yl)methyl]quinazoline-2,4-diamine

C23H29N5O2 — CID 11486612

IUPAC6,7-dimethoxy-2-N-methyl-2-N-[(4-phenylpiperidin-4-yl)methyl]quinazoline-2,4-diamine
SMILESCOc1cc2nc(N(C)CC3(c4ccccc4)CCNCC3)nc(N)c2cc1OC
InChIInChI=1S/C23H29N5O2/c1-28(15-23(9-11-25-12-10-23)16-7-5-4-6-8-16)22-26-18-14-20(30-3)19(29-2)13-17(18)21(24)27-22/h4-8,13-14,25H,9-12,15H2,1-3H3,(H2,24,26,27)
InChIKeyGVHNCGNKQPMHEH-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.99
Rot. Bonds6

About 6,7-dimethoxy-2-N-methyl-2-N-[(4-phenylpiperidin-4-yl)methyl]quinazoline-2,4-diamine

6,7-dimethoxy-2-N-methyl-2-N-[(4-phenylpiperidin-4-yl)methyl]quinazoline-2,4-diamine (PubChem CID 11486612) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 6,7-dimethoxy-2-N-methyl-2-N-[(4-phenylpiperidin-4-yl)methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name6,7-dimethoxy-2-N-methyl-2-N-[(4-phenylpiperidin-4-yl)methyl]quinazoline-2,4-diamine
PubChem CID11486612
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name6,7-dimethoxy-2-N-methyl-2-N-[(4-phenylpiperidin-4-yl)methyl]quinazoline-2,4-diamine
SMILESCOc1cc2nc(N(C)CC3(c4ccccc4)CCNCC3)nc(N)c2cc1OC
InChIInChI=1S/C23H29N5O2/c1-28(15-23(9-11-25-12-10-23)16-7-5-4-6-8-16)22-26-18-14-20(30-3)19(29-2)13-17(18)21(24)27-22/h4-8,13-14,25H,9-12,15H2,1-3H3,(H2,24,26,27)
InChIKeyGVHNCGNKQPMHEH-UHFFFAOYSA-N
XLogP2.99
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-N-methyl-2-N-[(4-phenylpiperidin-4-yl)methyl]quinazoline-2,4-diamine?
The IUPAC name of 6,7-dimethoxy-2-N-methyl-2-N-[(4-phenylpiperidin-4-yl)methyl]quinazoline-2,4-diamine (CID 11486612) is 6,7-dimethoxy-2-N-methyl-2-N-[(4-phenylpiperidin-4-yl)methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 6,7-dimethoxy-2-N-methyl-2-N-[(4-phenylpiperidin-4-yl)methyl]quinazoline-2,4-diamine?
The canonical SMILES for 6,7-dimethoxy-2-N-methyl-2-N-[(4-phenylpiperidin-4-yl)methyl]quinazoline-2,4-diamine is COc1cc2nc(N(C)CC3(c4ccccc4)CCNCC3)nc(N)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-N-methyl-2-N-[(4-phenylpiperidin-4-yl)methyl]quinazoline-2,4-diamine?
The InChIKey is GVHNCGNKQPMHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-28(15-23(9-11-25-12-10-23)16-7-5-4-6-8-16)22-26-18-14-20(30-3)19(29-2)13-17(18)21(24)27-22/h4-8,13-14,25H,9-12,15H2,1-3H3,(H2,24,26,27).
What are the key properties of 6,7-dimethoxy-2-N-methyl-2-N-[(4-phenylpiperidin-4-yl)methyl]quinazoline-2,4-diamine?
6,7-dimethoxy-2-N-methyl-2-N-[(4-phenylpiperidin-4-yl)methyl]quinazoline-2,4-diamine has a molecular weight of 407.52 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-N-methyl-2-N-[(4-phenylpiperidin-4-yl)methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 11486612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).