6-bromo-N-[(1-phenylpyrrolidin-3-yl)methyl]quinazolin-4-amine

C19H19BrN4 — CID 87021035

IUPAC6-bromo-N-[(1-phenylpyrrolidin-3-yl)methyl]quinazolin-4-amine
SMILESBrc1ccc2ncnc(NCC3CCN(c4ccccc4)C3)c2c1
InChIInChI=1S/C19H19BrN4/c20-15-6-7-18-17(10-15)19(23-13-22-18)21-11-14-8-9-24(12-14)16-4-2-1-3-5-16/h1-7,10,13-14H,8-9,11-12H2,(H,21,22,23)
InChIKeyYMSBKCIAZMSLCM-UHFFFAOYSA-N
MW383.29 g/mol
LogP4.33
Rot. Bonds4

About 6-bromo-N-[(1-phenylpyrrolidin-3-yl)methyl]quinazolin-4-amine

6-bromo-N-[(1-phenylpyrrolidin-3-yl)methyl]quinazolin-4-amine (PubChem CID 87021035) has the molecular formula C19H19BrN4 and a molecular weight of 383.29 g/mol. Its IUPAC name is 6-bromo-N-[(1-phenylpyrrolidin-3-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[(1-phenylpyrrolidin-3-yl)methyl]quinazolin-4-amine
PubChem CID87021035
Molecular FormulaC19H19BrN4
Molecular Weight383.29 g/mol
Exact Mass382.08
IUPAC Name6-bromo-N-[(1-phenylpyrrolidin-3-yl)methyl]quinazolin-4-amine
SMILESBrc1ccc2ncnc(NCC3CCN(c4ccccc4)C3)c2c1
InChIInChI=1S/C19H19BrN4/c20-15-6-7-18-17(10-15)19(23-13-22-18)21-11-14-8-9-24(12-14)16-4-2-1-3-5-16/h1-7,10,13-14H,8-9,11-12H2,(H,21,22,23)
InChIKeyYMSBKCIAZMSLCM-UHFFFAOYSA-N
XLogP4.33
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-[(1,1-dioxothietan-3-yl)methyl]quinazolin-4-amine
CID 154763470
6-bromo-N-[(2-phenyloxolan-3-yl)methyl]quinazolin-4-amine
CID 133353341
N-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-3,6-dimethylpyrazin-2-amine
CID 133468678
3-[[1-(3-bromophenyl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile
CID 133284176
6-bromo-N-(1,4-dithian-2-ylmethyl)quinazolin-4-amine
CID 133348873
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]quinolin-2-amine
CID 97312348
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
6-bromo-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 728957
6-bromo-N-[2-(cyclopropylmethoxy)ethyl]quinazolin-4-amine
CID 86900440
4-[(quinazolin-4-ylamino)methyl]cyclohexan-1-ol
CID 106130913
[1-[6-[[1-(3-bromophenyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133298767
2-[(6-bromoquinazolin-4-yl)amino]acetic acid;hydrochloride
CID 18590558

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(1-phenylpyrrolidin-3-yl)methyl]quinazolin-4-amine?
The IUPAC name of 6-bromo-N-[(1-phenylpyrrolidin-3-yl)methyl]quinazolin-4-amine (CID 87021035) is 6-bromo-N-[(1-phenylpyrrolidin-3-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-[(1-phenylpyrrolidin-3-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-[(1-phenylpyrrolidin-3-yl)methyl]quinazolin-4-amine is Brc1ccc2ncnc(NCC3CCN(c4ccccc4)C3)c2c1.
What is the InChIKey of 6-bromo-N-[(1-phenylpyrrolidin-3-yl)methyl]quinazolin-4-amine?
The InChIKey is YMSBKCIAZMSLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4/c20-15-6-7-18-17(10-15)19(23-13-22-18)21-11-14-8-9-24(12-14)16-4-2-1-3-5-16/h1-7,10,13-14H,8-9,11-12H2,(H,21,22,23).
What are the key properties of 6-bromo-N-[(1-phenylpyrrolidin-3-yl)methyl]quinazolin-4-amine?
6-bromo-N-[(1-phenylpyrrolidin-3-yl)methyl]quinazolin-4-amine has a molecular weight of 383.29 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(1-phenylpyrrolidin-3-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 87021035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).