2-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazoline

C21H27N3O — CID 133461258

IUPAC2-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazoline
SMILESCc1nc2c(c(N3CCC(COCc4ccccc4)C3)n1)CCCC2
InChIInChI=1S/C21H27N3O/c1-16-22-20-10-6-5-9-19(20)21(23-16)24-12-11-18(13-24)15-25-14-17-7-3-2-4-8-17/h2-4,7-8,18H,5-6,9-15H2,1H3
InChIKeyPFSIVUUNTKFJCM-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.71
Rot. Bonds5

About 2-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazoline

2-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazoline (PubChem CID 133461258) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazoline
PubChem CID133461258
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name2-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazoline
SMILESCc1nc2c(c(N3CCC(COCc4ccccc4)C3)n1)CCCC2
InChIInChI=1S/C21H27N3O/c1-16-22-20-10-6-5-9-19(20)21(23-16)24-12-11-18(13-24)15-25-14-17-7-3-2-4-8-17/h2-4,7-8,18H,5-6,9-15H2,1H3
InChIKeyPFSIVUUNTKFJCM-UHFFFAOYSA-N
XLogP3.71
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazine-2-carbonitrile
CID 133460814
4-(4-benzyl-1,4-diazepan-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 71858582
2-methyl-4-(3-pyridin-4-yloxypyrrolidin-1-yl)-5,6,7,8-tetrahydroquinazoline
CID 133472466
8-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]quinoline
CID 133368248
2-methyl-4-[4-(triazol-1-ylmethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133462008
1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid
CID 102549336
4-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 133460481
2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane
CID 143604667
(3R)-1-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol
CID 92565044
1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone
CID 42786499
2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133461386
ethyl (3S)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylate
CID 133472617

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazoline (CID 133461258) is 2-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazoline is Cc1nc2c(c(N3CCC(COCc4ccccc4)C3)n1)CCCC2.
What is the InChIKey of 2-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The InChIKey is PFSIVUUNTKFJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16-22-20-10-6-5-9-19(20)21(23-16)24-12-11-18(13-24)15-25-14-17-7-3-2-4-8-17/h2-4,7-8,18H,5-6,9-15H2,1H3.
What are the key properties of 2-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
2-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazoline has a molecular weight of 337.47 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 133461258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).