N-cycloheptyl-7-methoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine

C25H37N5O — CID 44561334

IUPACN-cycloheptyl-7-methoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine
SMILESCOc1ccc2c(NC3CCCCCC3)nc(N3CCC(N4CCCC4)CC3)nc2c1
InChIInChI=1S/C25H37N5O/c1-31-21-10-11-22-23(18-21)27-25(28-24(22)26-19-8-4-2-3-5-9-19)30-16-12-20(13-17-30)29-14-6-7-15-29/h10-11,18-20H,2-9,12-17H2,1H3,(H,26,27,28)
InChIKeyDZSXOSFSUGNQQK-UHFFFAOYSA-N
MW423.61 g/mol
LogP4.84
Rot. Bonds5

About N-cycloheptyl-7-methoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine

N-cycloheptyl-7-methoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine (PubChem CID 44561334) has the molecular formula C25H37N5O and a molecular weight of 423.61 g/mol. Its IUPAC name is N-cycloheptyl-7-methoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-cycloheptyl-7-methoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine
PubChem CID44561334
Molecular FormulaC25H37N5O
Molecular Weight423.61 g/mol
Exact Mass423.30
IUPAC NameN-cycloheptyl-7-methoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine
SMILESCOc1ccc2c(NC3CCCCCC3)nc(N3CCC(N4CCCC4)CC3)nc2c1
InChIInChI=1S/C25H37N5O/c1-31-21-10-11-22-23(18-21)27-25(28-24(22)26-19-8-4-2-3-5-9-19)30-16-12-20(13-17-30)29-14-6-7-15-29/h10-11,18-20H,2-9,12-17H2,1H3,(H,26,27,28)
InChIKeyDZSXOSFSUGNQQK-UHFFFAOYSA-N
XLogP4.84
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.61
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-7-methoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine?
The IUPAC name of N-cycloheptyl-7-methoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine (CID 44561334) is N-cycloheptyl-7-methoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine.
What is the SMILES notation for N-cycloheptyl-7-methoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine?
The canonical SMILES for N-cycloheptyl-7-methoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine is COc1ccc2c(NC3CCCCCC3)nc(N3CCC(N4CCCC4)CC3)nc2c1.
What is the InChIKey of N-cycloheptyl-7-methoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine?
The InChIKey is DZSXOSFSUGNQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O/c1-31-21-10-11-22-23(18-21)27-25(28-24(22)26-19-8-4-2-3-5-9-19)30-16-12-20(13-17-30)29-14-6-7-15-29/h10-11,18-20H,2-9,12-17H2,1H3,(H,26,27,28).
What are the key properties of N-cycloheptyl-7-methoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine?
N-cycloheptyl-7-methoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine has a molecular weight of 423.61 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-7-methoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine is sourced from PubChem (CID 44561334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).