6-chloro-N-(cyclopropylmethyl)-2-methoxy-N-propyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine

C25H30ClN3O — CID 139821478

IUPAC6-chloro-N-(cyclopropylmethyl)-2-methoxy-N-propyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine
SMILESCCCN(CC1CC1)c1nc(OC)nc2c(-c3c(C)cc(C)cc3C)cc(Cl)cc12
InChIInChI=1S/C25H30ClN3O/c1-6-9-29(14-18-7-8-18)24-21-13-19(26)12-20(23(21)27-25(28-24)30-5)22-16(3)10-15(2)11-17(22)4/h10-13,18H,6-9,14H2,1-5H3
InChIKeyRXUPVWCUFMCMGW-UHFFFAOYSA-N
MW423.99 g/mol
LogP6.51
Rot. Bonds7

About 6-chloro-N-(cyclopropylmethyl)-2-methoxy-N-propyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine

6-chloro-N-(cyclopropylmethyl)-2-methoxy-N-propyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine (PubChem CID 139821478) has the molecular formula C25H30ClN3O and a molecular weight of 423.99 g/mol. Its IUPAC name is 6-chloro-N-(cyclopropylmethyl)-2-methoxy-N-propyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(cyclopropylmethyl)-2-methoxy-N-propyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine
PubChem CID139821478
Molecular FormulaC25H30ClN3O
Molecular Weight423.99 g/mol
Exact Mass423.21
IUPAC Name6-chloro-N-(cyclopropylmethyl)-2-methoxy-N-propyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine
SMILESCCCN(CC1CC1)c1nc(OC)nc2c(-c3c(C)cc(C)cc3C)cc(Cl)cc12
InChIInChI=1S/C25H30ClN3O/c1-6-9-29(14-18-7-8-18)24-21-13-19(26)12-20(23(21)27-25(28-24)30-5)22-16(3)10-15(2)11-17(22)4/h10-13,18H,6-9,14H2,1-5H3
InChIKeyRXUPVWCUFMCMGW-UHFFFAOYSA-N
XLogP6.51
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.99
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclopropylmethyl)-2-methoxy-N-propyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine?
The IUPAC name of 6-chloro-N-(cyclopropylmethyl)-2-methoxy-N-propyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine (CID 139821478) is 6-chloro-N-(cyclopropylmethyl)-2-methoxy-N-propyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-chloro-N-(cyclopropylmethyl)-2-methoxy-N-propyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine?
The canonical SMILES for 6-chloro-N-(cyclopropylmethyl)-2-methoxy-N-propyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine is CCCN(CC1CC1)c1nc(OC)nc2c(-c3c(C)cc(C)cc3C)cc(Cl)cc12.
What is the InChIKey of 6-chloro-N-(cyclopropylmethyl)-2-methoxy-N-propyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine?
The InChIKey is RXUPVWCUFMCMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O/c1-6-9-29(14-18-7-8-18)24-21-13-19(26)12-20(23(21)27-25(28-24)30-5)22-16(3)10-15(2)11-17(22)4/h10-13,18H,6-9,14H2,1-5H3.
What are the key properties of 6-chloro-N-(cyclopropylmethyl)-2-methoxy-N-propyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine?
6-chloro-N-(cyclopropylmethyl)-2-methoxy-N-propyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine has a molecular weight of 423.99 g/mol, XLogP of 6.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclopropylmethyl)-2-methoxy-N-propyl-8-(2,4,6-trimethylphenyl)quinazolin-4-amine is sourced from PubChem (CID 139821478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).