N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine

C22H18N4O2 — CID 9396951

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCN(Cc1ccc2c(c1)OCO2)c1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C22H18N4O2/c1-26(13-15-8-9-19-20(11-15)28-14-27-19)22-17-6-2-3-7-18(17)24-21(25-22)16-5-4-10-23-12-16/h2-12H,13-14H2,1H3
InChIKeyKDTNSRXPGJKLNO-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.06
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine

N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 9396951) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
PubChem CID9396951
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCN(Cc1ccc2c(c1)OCO2)c1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C22H18N4O2/c1-26(13-15-8-9-19-20(11-15)28-14-27-19)22-17-6-2-3-7-18(17)24-21(25-22)16-5-4-10-23-12-16/h2-12H,13-14H2,1H3
InChIKeyKDTNSRXPGJKLNO-UHFFFAOYSA-N
XLogP4.06
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Piribedil
CID 4850
6,7-dimethoxy-N-phenylquinazolin-4-amine
CID 3798
Piribedil Hydrochloride
CID 3038520
CP466722
CID 44551660
N-benzyl-6,7-dimethoxyquinazolin-4-amine
CID 1474877
6,7-dimethoxy-N-(3-methylphenyl)quinazolin-4-amine
CID 2808977
6,7-dimethoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 2808988
SIS3 free base
CID 10138988
N4-(1,3-Benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)-2,4-pyrimidinediamine
CID 11210285
Piperazine, 1-(3,4-methylenedioxybenzyl)-4-(2-pyridyl)-
CID 100984
2-(1,3-benzodioxol-5-yl)-N-(3-pyridinylmethyl)-4-pyrimidinamine
CID 3234998
4-[4-(5-Benzylpyrimidin-2-yl)piperazin-1-yl]-6,7-bis(2-methoxyethoxy)quinazoline
CID 117620118

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine (CID 9396951) is N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine is CN(Cc1ccc2c(c1)OCO2)c1nc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is KDTNSRXPGJKLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-26(13-15-8-9-19-20(11-15)28-14-27-19)22-17-6-2-3-7-18(17)24-21(25-22)16-5-4-10-23-12-16/h2-12H,13-14H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 370.41 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 9396951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).